Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4hee_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 GLN 195.A OE1 no hydrogen 2.985 N/A ARG 4.A NH2 GLN 195.A OE1 no hydrogen 3.288 N/A ALA 5.A N ALA 1.A O no hydrogen 3.335 N/A LEU 6.A N ASP 2.A O no hydrogen 3.149 N/A ALA 7.A N LEU 3.A O no hydrogen 3.313 N/A LYS 8.A N ARG 4.A O no hydrogen 2.778 N/A LYS 8.A NZ ASP 12.A OD1 no hydrogen 2.871 N/A LYS 8.A NZ ASP 12.A OD2 no hydrogen 3.452 N/A HIS 9.A N ALA 5.A O no hydrogen 2.713 N/A HIS 9.A NE2 SER 77.A O no hydrogen 2.793 N/A LEU 10.A N LEU 6.A O no hydrogen 3.009 N/A TYR 11.A N ALA 7.A O no hydrogen 2.871 N/A ASP 12.A N LYS 8.A O no hydrogen 3.258 N/A SER 13.A N HIS 9.A O no hydrogen 3.201 N/A SER 13.A OG HIS 9.A O no hydrogen 3.035 N/A TYR 14.A N LEU 10.A O no hydrogen 2.909 N/A TYR 14.A OH ASP 156.A OD1 no hydrogen 2.849 N/A ILE 15.A N TYR 11.A O no hydrogen 3.005 N/A LYS 16.A N ASP 12.A O no hydrogen 3.031 N/A SER 17.A N SER 13.A O no hydrogen 2.906 N/A SER 17.A OG SER 13.A O no hydrogen 2.695 N/A PHE 18.A N TYR 14.A O no hydrogen 2.879 N/A THR 21.A OG1 ASP 156.A OD2 no hydrogen 3.449 N/A LYS 22.A N ASP 156.A OD1 no hydrogen 2.818 N/A LYS 22.A NZ LEU 154.A O no hydrogen 2.829 N/A ALA 23.A N ASP 156.A OD2 no hydrogen 3.099 N/A LYS 24.A N THR 21.A OG1 no hydrogen 3.253 N/A LYS 24.A NZ PRO 19.A O no hydrogen 2.859 N/A ALA 25.A N THR 21.A O no hydrogen 2.947 N/A ARG 26.A N LYS 22.A O no hydrogen 2.949 N/A ARG 26.A NE SER 107.A O no hydrogen 3.081 N/A ARG 26.A NH1 SER 107.A O no hydrogen 2.859 N/A ARG 26.A NH1 MET 109.A O no hydrogen 2.632 N/A ARG 26.A NH2 MET 109.A O no hydrogen 2.957 N/A ALA 27.A N ALA 23.A O no hydrogen 3.115 N/A ILE 28.A N LYS 24.A O no hydrogen 3.372 N/A ILE 28.A N ALA 25.A O no hydrogen 3.247 N/A LEU 29.A N ALA 25.A O no hydrogen 3.076 N/A THR 30.A N ARG 26.A O no hydrogen 3.008 N/A THR 30.A OG1 ARG 26.A O no hydrogen 2.588 N/A PHE 36.A N GLN 120.A O no hydrogen 2.793 N/A ILE 38.A N PHE 122.A O no hydrogen 2.717 N/A TYR 39.A N SER 43.A OG no hydrogen 2.929 N/A ASP 40.A N SER 43.A OG no hydrogen 2.975 N/A SER 43.A N ASP 40.A OD1 no hydrogen 3.267 N/A SER 43.A OG ASP 40.A O no hydrogen 2.906 N/A SER 43.A OG ASP 40.A OD1 no hydrogen 2.889 N/A LEU 44.A N ASP 40.A O no hydrogen 2.995 N/A MET 45.A N MET 41.A O no hydrogen 3.161 N/A MET 46.A N ASN 42.A O no hydrogen 3.006 N/A GLY 47.A N SER 43.A O no hydrogen 2.933 N/A GLU 48.A N MET 45.A O no hydrogen 3.352 N/A LYS 50.A NZ ASP 49.A O no hydrogen 2.856 N/A ARG 55.A N GLU 51.A O no hydrogen 2.827 N/A ILE 56.A N VAL 52.A O no hydrogen 2.698 N/A PHE 57.A N ALA 53.A O no hydrogen 3.009 N/A GLN 58.A N ILE 54.A O no hydrogen 2.942 N/A GLY 59.A N ARG 55.A O no hydrogen 3.319 N/A CYS 60.A N ILE 56.A O no hydrogen 2.961 N/A CYS 60.A SG ILE 56.A O no hydrogen 3.333 N/A GLN 61.A N PHE 57.A O no hydrogen 3.018 N/A PHE 62.A N GLN 58.A O no hydrogen 2.937 N/A ARG 63.A N GLY 59.A O no hydrogen 2.953 N/A ARG 63.A NH1 GLU 70.A OE1 no hydrogen 2.824 N/A ARG 63.A NH2 GLU 70.A OE2 no hydrogen 3.152 N/A SER 64.A N CYS 60.A O no hydrogen 2.965 N/A VAL 65.A N GLN 61.A O no hydrogen 2.791 N/A GLU 66.A N PHE 62.A O no hydrogen 3.157 N/A ALA 67.A N ARG 63.A O no hydrogen 2.949 N/A VAL 68.A N SER 64.A O no hydrogen 3.050 N/A GLN 69.A N VAL 65.A O no hydrogen 3.227 N/A GLU 70.A N GLU 66.A O no hydrogen 3.021 N/A ILE 71.A N ALA 67.A O no hydrogen 2.807 N/A THR 72.A N VAL 68.A O no hydrogen 2.984 N/A THR 72.A OG1 VAL 68.A O no hydrogen 2.717 N/A GLU 73.A N GLN 69.A O no hydrogen 3.031 N/A TYR 74.A N GLU 70.A O no hydrogen 2.950 N/A TYR 74.A OH ALA 160.A O no hydrogen 2.519 N/A ALA 75.A N ILE 71.A O no hydrogen 2.861 N/A LYS 76.A N THR 72.A O no hydrogen 3.367 N/A SER 77.A N TYR 74.A O no hydrogen 3.099 N/A SER 77.A OG TYR 74.A O no hydrogen 2.437 N/A ILE 78.A N ALA 75.A O no hydrogen 2.917 N/A PHE 81.A N ILE 78.A O no hydrogen 2.900 N/A ASN 83.A N GLY 80.A O no hydrogen 3.227 N/A LEU 84.A N PHE 81.A O no hydrogen 3.238 N/A ASN 87.A N ASP 85.A OD1 no hydrogen 2.767 N/A ASN 87.A ND2 ASP 85.A OD1 no hydrogen 2.965 N/A GLN 89.A N ASP 85.A O no hydrogen 2.991 N/A GLN 89.A NE2 VAL 82.A O no hydrogen 2.959 N/A GLN 89.A NE2 LEU 84.A O no hydrogen 2.767 N/A VAL 90.A N LEU 86.A O no hydrogen 3.198 N/A THR 91.A N ASN 87.A O no hydrogen 3.075 N/A THR 91.A OG1 ASN 87.A O no hydrogen 3.146 N/A LEU 92.A N ASP 88.A O no hydrogen 2.981 N/A LEU 93.A N GLN 89.A O no hydrogen 3.172 N/A LYS 94.A N VAL 90.A O no hydrogen 2.717 N/A LYS 94.A NZ GLU 246.A O no hydrogen 3.477 N/A LYS 94.A NZ ILE 247.A O no hydrogen 2.921 N/A LYS 94.A NZ LYS 249.A O no hydrogen 2.742 N/A TYR 95.A N THR 91.A O no hydrogen 2.914 N/A TYR 95.A OH LEU 251.A O no hydrogen 3.151 N/A GLY 96.A N LEU 92.A O no hydrogen 2.915 N/A VAL 97.A N LEU 93.A O no hydrogen 2.980 N/A GLU 99.A N GLY 96.A O no hydrogen 3.193 N/A ILE 100.A N GLY 96.A O no hydrogen 3.251 N/A ILE 101.A N VAL 97.A O no hydrogen 3.095 N/A TYR 102.A N HIS 98.A O no hydrogen 3.307 N/A THR 103.A N GLU 99.A O no hydrogen 3.017 N/A THR 103.A OG1 GLU 99.A O no hydrogen 2.770 N/A MET 104.A N ILE 100.A O no hydrogen 2.751 N/A LEU 105.A N ILE 101.A O no hydrogen 2.782 N/A ALA 106.A N TYR 102.A O no hydrogen 3.355 N/A SER 107.A N MET 104.A O no hydrogen 3.255 N/A LEU 108.A N LEU 105.A O no hydrogen 3.115 N/A MET 109.A N ALA 106.A O no hydrogen 3.236 N/A ASN 110.A N GLY 113.A O no hydrogen 3.041 N/A ASP 112.A N ASN 110.A OD1 no hydrogen 2.906 N/A GLY 113.A N ASN 110.A OD1 no hydrogen 3.178 N/A VAL 114.A N MET 123.A O no hydrogen 3.035 N/A LEU 115.A N LEU 108.A O no hydrogen 3.020 N/A ILE 116.A N GLY 121.A O no hydrogen 2.918 N/A GLY 119.A N ILE 116.A O no hydrogen 3.117 N/A GLN 120.A N SER 117.A O no hydrogen 2.898 N/A GLY 121.A N ILE 116.A O no hydrogen 3.018 N/A PHE 122.A N PHE 36.A O no hydrogen 2.748 N/A MET 123.A N VAL 114.A O no hydrogen 3.027 N/A THR 124.A N ILE 38.A O no hydrogen 2.810 N/A ARG 125.A N ASP 112.A O no hydrogen 2.726 N/A ARG 125.A NE GLU 140.A OE1 no hydrogen 2.662 N/A ARG 125.A NH1 LYS 111.A O no hydrogen 3.013 N/A ARG 125.A NH2 GLU 140.A OE1 no hydrogen 3.218 N/A ARG 125.A NH2 GLU 140.A OE2 no hydrogen 3.289 N/A PHE 127.A N THR 124.A OG1 no hydrogen 3.159 N/A LEU 128.A N THR 124.A O no hydrogen 3.019 N/A LYS 129.A N ARG 125.A O no hydrogen 2.961 N/A LYS 129.A NZ GLU 126.A OE2 no hydrogen 3.002 N/A LYS 129.A NZ GLU 140.A OE2 no hydrogen 3.520 N/A SER 130.A N GLU 126.A O no hydrogen 2.936 N/A SER 130.A N PHE 127.A O no hydrogen 3.251 N/A SER 130.A OG PHE 127.A O no hydrogen 2.664 N/A LEU 131.A N LEU 128.A O no hydrogen 3.065 N/A ARG 132.A NE GLU 51.A OE2 no hydrogen 2.740 N/A ARG 132.A NH2 GLU 51.A OE2 no hydrogen 3.464 N/A ARG 132.A NH2 GLU 235.A OE1 no hydrogen 2.792 N/A ASP 137.A N PRO 134.A O no hydrogen 2.899 N/A PHE 138.A N PHE 135.A O no hydrogen 3.295 N/A LYS 142.A N MET 139.A O no hydrogen 2.856 N/A LYS 142.A NZ PHE 138.A O no hydrogen 2.813 N/A PHE 143.A N MET 139.A O no hydrogen 3.097 N/A GLU 144.A N GLU 140.A O no hydrogen 3.009 N/A PHE 145.A N PRO 141.A O no hydrogen 3.023 N/A ALA 146.A N LYS 142.A O no hydrogen 2.982 N/A VAL 147.A N PHE 143.A O no hydrogen 3.130 N/A PHE 149.A N PHE 145.A O no hydrogen 2.920 N/A ASN 150.A N ALA 146.A O no hydrogen 2.691 N/A ASN 150.A ND2 ALA 106.A O no hydrogen 2.733 N/A LEU 152.A N PHE 149.A O no hydrogen 3.145 N/A GLU 153.A N ASN 150.A O no hydrogen 3.167 N/A ASP 155.A N ASP 158.A OD2 no hydrogen 2.743 N/A SER 157.A OG ASP 155.A OD1 no hydrogen 2.491 N/A SER 157.A OG ASP 155.A OD2 no hydrogen 3.442 N/A ASP 158.A N ASP 155.A OD1 no hydrogen 3.015 N/A LEU 159.A N ASP 155.A O no hydrogen 3.049 N/A ALA 160.A N ASP 156.A O no hydrogen 2.822 N/A ILE 161.A N ASP 158.A O no hydrogen 3.154 N/A PHE 162.A N ASP 158.A O no hydrogen 3.264 N/A ILE 163.A N LEU 159.A O no hydrogen 3.002 N/A ALA 164.A N ALA 160.A O no hydrogen 3.396 N/A VAL 165.A N ILE 161.A O no hydrogen 2.926 N/A ILE 166.A N PHE 162.A O no hydrogen 3.014 N/A ILE 167.A N ILE 163.A O no hydrogen 3.135 N/A LEU 168.A N ALA 164.A O no hydrogen 3.208 N/A SER 169.A OG ILE 166.A O no hydrogen 2.562 N/A ARG 172.A NH1 GLU 99.A OE1 no hydrogen 3.360 N/A ARG 172.A NH1 GLU 99.A OE2 no hydrogen 3.139 N/A ARG 172.A NH2 GLU 99.A OE1 no hydrogen 2.804 N/A ARG 172.A NH2 ILE 166.A O no hydrogen 3.162 N/A LEU 176.A N ASP 88.A OD1 no hydrogen 2.900 N/A LEU 176.A N ASP 88.A OD2 no hydrogen 3.212 N/A ASN 177.A N ASP 88.A OD2 no hydrogen 2.903 N/A GLU 182.A N VAL 178.A O no hydrogen 3.075 N/A ASP 183.A N LYS 179.A O no hydrogen 2.968 N/A ILE 184.A N PRO 180.A O no hydrogen 3.168 N/A GLN 185.A N ILE 181.A O no hydrogen 2.955 N/A GLN 185.A NE2 VAL 165.A O no hydrogen 3.068 N/A ASP 186.A N GLU 182.A O no hydrogen 2.842 N/A ASP 186.A N ASP 183.A O no hydrogen 3.208 N/A ASN 187.A N ASP 183.A O no hydrogen 3.291 N/A LEU 188.A N ILE 184.A O no hydrogen 2.993 N/A LEU 189.A N GLN 185.A O no hydrogen 2.813 N/A GLN 190.A N ASP 186.A O no hydrogen 2.881 N/A GLN 190.A NE2 ASP 186.A OD1 no hydrogen 2.698 N/A ALA 191.A N ASN 187.A O no hydrogen 2.966 N/A LEU 192.A N LEU 188.A O no hydrogen 2.978 N/A GLU 193.A N LEU 189.A O no hydrogen 2.964 N/A LEU 194.A N GLN 190.A O no hydrogen 3.011 N/A GLN 195.A N ALA 191.A O no hydrogen 2.908 N/A GLN 195.A NE2 ASP 158.A OD1 no hydrogen 3.351 N/A LEU 196.A N LEU 192.A O no hydrogen 3.026 N/A LYS 197.A N GLU 193.A O no hydrogen 3.055 N/A LEU 198.A N LEU 194.A O no hydrogen 3.161 N/A ASN 199.A N GLN 195.A O no hydrogen 2.646 N/A ASN 199.A ND2 ASP 155.A OD2 no hydrogen 2.720 N/A ASN 199.A ND2 ASP 158.A OD1 no hydrogen 2.804 N/A HIS 200.A N LEU 196.A O no hydrogen 3.124 N/A HIS 200.A NE2 ASP 158.A OD2 no hydrogen 2.961 N/A SER 203.A N HIS 200.A O no hydrogen 3.102 N/A SER 204.A N GLU 202.A O no hydrogen 3.263 N/A LYS 209.A N GLN 205.A O no hydrogen 3.068 N/A LEU 210.A N LEU 206.A O no hydrogen 2.840 N/A LEU 211.A N PHE 207.A O no hydrogen 2.928 N/A LEU 211.A N ALA 208.A O no hydrogen 3.207 N/A GLN 212.A N ALA 208.A O no hydrogen 3.165 N/A GLN 212.A NE2 ASP 216.A OD1 no hydrogen 3.223 N/A LYS 213.A N LYS 209.A O no hydrogen 3.011 N/A MET 214.A N LEU 210.A O no hydrogen 3.056 N/A THR 215.A N LEU 211.A O no hydrogen 3.146 N/A THR 215.A OG1 LEU 211.A O no hydrogen 2.861 N/A ASP 216.A N GLN 212.A O no hydrogen 2.880 N/A LEU 217.A N LYS 213.A O no hydrogen 2.948 N/A ARG 218.A N THR 215.A O no hydrogen 3.356 N/A ARG 218.A NH1 ASP 171.A OD1 no hydrogen 3.275 N/A ARG 218.A NH1 ASP 171.A OD2 no hydrogen 2.638 N/A ILE 220.A N ASP 216.A O no hydrogen 2.977 N/A VAL 221.A N LEU 217.A O no hydrogen 2.782 N/A THR 222.A N ARG 218.A O no hydrogen 3.076 N/A THR 222.A OG1 GLN 219.A O no hydrogen 3.092 N/A GLU 223.A N GLN 219.A O no hydrogen 3.286 N/A HIS 224.A N ILE 220.A O no hydrogen 3.343 N/A VAL 225.A N VAL 221.A O no hydrogen 3.022 N/A GLN 226.A N THR 222.A O no hydrogen 2.769 N/A LEU 227.A N GLU 223.A O no hydrogen 3.102 N/A LEU 228.A N HIS 224.A O no hydrogen 3.040 N/A GLN 229.A N VAL 225.A O no hydrogen 3.193 N/A ILE 231.A N LEU 227.A O no hydrogen 3.352 N/A LYS 232.A N LEU 228.A O no hydrogen 3.336 N/A LYS 233.A N GLN 229.A O no hydrogen 3.219 N/A THR 234.A N VAL 230.A O no hydrogen 3.083 N/A THR 234.A OG1 VAL 230.A O no hydrogen 3.110 N/A THR 234.A OG1 ILE 231.A O no hydrogen 2.992 N/A GLU 235.A N ILE 231.A O no hydrogen 2.797 N/A LEU 243.A N HIS 241.A ND1 no hydrogen 3.368 N/A GLN 245.A N HIS 241.A O no hydrogen 2.829 N/A GLU 246.A N PRO 242.A O no hydrogen 2.984 N/A ILE 247.A N LEU 243.A O no hydrogen 2.897 N/A TYR 248.A N LEU 244.A O no hydrogen 2.821 N/A